[(3S)-1-(1H-benzimidazol-2-ylmethyl)piperidin-1-ium-3-yl]-(6-methoxynaphthalen-2-yl)methanone

Systemtic Name: [(3S)-1-(1H-benzimidazol-2-ylmethyl)piperidin-1-ium-3-yl]-(6-methoxynaphthalen-2-yl)methanone Openeye Name: [(3S)-1-(1H-benzimidazol-2-ylmethyl)piperidin-1-ium-3-yl]-(6-methoxy-2-naphthyl)methanone CAS Name: [(3S)-1-(1H-benzimidazol-2-ylmethyl)-3-piperidin-1-iumyl]-(6-methoxy-2-naphthalenyl)methanone IUPAC Name: [(3S)-1-(1H-benzimidazol-2-ylmethyl)piperidin-1-ium-3-yl]-(6-methoxynaphthalen-2-yl)methanone Traditional Name: [(3S)-1-(1H-benzimidazol-2-ylmethyl)piperidin-1-ium-3-yl]-(6-methoxy-2-naphthyl)methanone Formula: C25H26N3O2+ MolecularWeight: 400.49284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C=C2)C(=O)C3CCC[NH+](C3)CC4=NC5=CC=CC=C5N4

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C=C2)C(=O)[C@H]3CCC[NH+](C3)CC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C25H25N3O2/c1-30-21-11-10-17-13-19(9-8-18(17)14-21)25(29)20-5-4-12-28(15-20)16-24-26-22-6-2-3-7-23(22)27-24/h2-3,6-11,13-14,20H,4-5,12,15-16H2,1H3,(H,26,27)/p+1/t20-/m0/s1